Bionet1_002112
TL;DR: Bionet1_002112 (CAS 478048-46-3) is a chemical compound with molecular formula C17H10FN5O4 and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-4-[(4-nitrophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
Also Known As: Bionet1_002112, 2-(4-fluorophenyl)-4-(4-nitrobenzyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, 5K-922, 2-(4-fluorophenyl)-4-[(4-nitrophenyl)methyl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, 2-(4-fluorophenyl)-4-[(4-nitrophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
| Molecular Formula | C17H10FN5O4 |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 1.36148 |
| Topological Polar Surface Area | 123.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.0717 |
| Heavy Atoms | 27 |
| Complexity | 1174.4213 |
Chemical Identifiers
| CAS Number | 478048-46-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=O)C(=NN(C2=O)C3=CC=C(C=C3)F)C#N)[N+](=O)[O-] |
Product Overview
Bionet1_002112 (CAS 478048-46-3), with molecular formula C17H10FN5O4 and molecular weight 367.07 g/mol. IUPAC: 2-(4-fluorophenyl)-4-[(4-nitrophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
Chemical Property Profile of Bionet1_002112
Property Insights of Bionet1_002112
The XLogP value of 1.36148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002112. The TPSA of 123.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002112. Following Lipinski's Rule of Five, Bionet1_002112 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_002112?
The CAS number of Bionet1_002112 is 478048-46-3.
What is the molecular formula of Bionet1_002112?
The molecular formula of Bionet1_002112 is C17H10FN5O4.
What is the molecular weight of Bionet1_002112?
The molecular weight of Bionet1_002112 is 367.07 g/mol.
Where can I buy Bionet1_002112?
You can request a quote for Bionet1_002112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002112?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.